N-cyclobutyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide

C23H25N3O2 — CID 23731291

IUPACN-cyclobutyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
SMILESCc1nc2c3c(c(C(=O)NC4CCC4)cn2c1C)CCC(c1ccccc1)O3
InChIInChI=1S/C23H25N3O2/c1-14-15(2)26-13-19(23(27)25-17-9-6-10-17)18-11-12-20(16-7-4-3-5-8-16)28-21(18)22(26)24-14/h3-5,7-8,13,17,20H,6,9-12H2,1-2H3,(H,25,27)
InChIKeyFYEVGINFXPAHTL-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.30
Rot. Bonds3

About N-cyclobutyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide

N-cyclobutyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide (PubChem CID 23731291) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-cyclobutyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
PubChem CID23731291
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-cyclobutyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
SMILESCc1nc2c3c(c(C(=O)NC4CCC4)cn2c1C)CCC(c1ccccc1)O3
InChIInChI=1S/C23H25N3O2/c1-14-15(2)26-13-19(23(27)25-17-9-6-10-17)18-11-12-20(16-7-4-3-5-8-16)28-21(18)22(26)24-14/h3-5,7-8,13,17,20H,6,9-12H2,1-2H3,(H,25,27)
InChIKeyFYEVGINFXPAHTL-UHFFFAOYSA-N
XLogP4.30
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclobutyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide?
The IUPAC name of N-cyclobutyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide (CID 23731291) is N-cyclobutyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide.
What is the SMILES notation for N-cyclobutyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide?
The canonical SMILES for N-cyclobutyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide is Cc1nc2c3c(c(C(=O)NC4CCC4)cn2c1C)CCC(c1ccccc1)O3.
What is the InChIKey of N-cyclobutyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide?
The InChIKey is FYEVGINFXPAHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-14-15(2)26-13-19(23(27)25-17-9-6-10-17)18-11-12-20(16-7-4-3-5-8-16)28-21(18)22(26)24-14/h3-5,7-8,13,17,20H,6,9-12H2,1-2H3,(H,25,27).
What are the key properties of N-cyclobutyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide?
N-cyclobutyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide is sourced from PubChem (CID 23731291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).